3,6-dimethyl-N-octan-4-ylpyrazin-2-amine

C14H25N3 — CID 114138448

IUPAC3,6-dimethyl-N-octan-4-ylpyrazin-2-amine
SMILESCCCCC(CCC)Nc1nc(C)cnc1C
InChIInChI=1S/C14H25N3/c1-5-7-9-13(8-6-2)17-14-12(4)15-10-11(3)16-14/h10,13H,5-9H2,1-4H3,(H,16,17)
InChIKeyKOHOQODCWLYPHG-UHFFFAOYSA-N
MW235.38 g/mol
LogP3.86
Rot. Bonds7

About 3,6-dimethyl-N-octan-4-ylpyrazin-2-amine

3,6-dimethyl-N-octan-4-ylpyrazin-2-amine (PubChem CID 114138448) has the molecular formula C14H25N3 and a molecular weight of 235.38 g/mol. Its IUPAC name is 3,6-dimethyl-N-octan-4-ylpyrazin-2-amine.

Molecular Properties

Compound Name3,6-dimethyl-N-octan-4-ylpyrazin-2-amine
PubChem CID114138448
Molecular FormulaC14H25N3
Molecular Weight235.38 g/mol
Exact Mass235.20
IUPAC Name3,6-dimethyl-N-octan-4-ylpyrazin-2-amine
SMILESCCCCC(CCC)Nc1nc(C)cnc1C
InChIInChI=1S/C14H25N3/c1-5-7-9-13(8-6-2)17-14-12(4)15-10-11(3)16-14/h10,13H,5-9H2,1-4H3,(H,16,17)
InChIKeyKOHOQODCWLYPHG-UHFFFAOYSA-N
XLogP3.86
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.38
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-octan-4-ylpyrazin-2-amine
CID 106026404
3,6-dimethyl-N-octan-2-ylpyrazin-2-amine
CID 65417975
3,6-dimethyl-N-pentylpyrazin-2-amine
CID 60631563
2-N-(3,6-dimethylpyrazin-2-yl)-4-methylpentane-1,2-diamine
CID 63759233
3-methyl-N-octan-4-ylquinolin-2-amine
CID 106026571
5-bromo-2-hydrazinyl-N-octan-4-ylpyrimidin-4-amine
CID 106026014
2-[(3,6-dimethylpyrazin-2-yl)amino]propan-1-ol
CID 65417320
5-fluoro-4-N-octan-4-yl-2-N-propylpyrimidine-2,4-diamine
CID 106028826
5-chloro-4-N-octan-4-yl-2-N-propylpyrimidine-2,4-diamine
CID 106028695
5-methoxy-2-methyl-N-octan-4-ylpyridin-4-amine
CID 106026562
N-octan-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 114138445
1-N-(3,6-dimethylpyrazin-2-yl)-1-N',1-N'-dimethylethane-1,1-diamine
CID 70592392

Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-N-octan-4-ylpyrazin-2-amine?
The IUPAC name of 3,6-dimethyl-N-octan-4-ylpyrazin-2-amine (CID 114138448) is 3,6-dimethyl-N-octan-4-ylpyrazin-2-amine.
What is the SMILES notation for 3,6-dimethyl-N-octan-4-ylpyrazin-2-amine?
The canonical SMILES for 3,6-dimethyl-N-octan-4-ylpyrazin-2-amine is CCCCC(CCC)Nc1nc(C)cnc1C.
What is the InChIKey of 3,6-dimethyl-N-octan-4-ylpyrazin-2-amine?
The InChIKey is KOHOQODCWLYPHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-5-7-9-13(8-6-2)17-14-12(4)15-10-11(3)16-14/h10,13H,5-9H2,1-4H3,(H,16,17).
What are the key properties of 3,6-dimethyl-N-octan-4-ylpyrazin-2-amine?
3,6-dimethyl-N-octan-4-ylpyrazin-2-amine has a molecular weight of 235.38 g/mol, XLogP of 3.86, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-N-octan-4-ylpyrazin-2-amine is sourced from PubChem (CID 114138448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).